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The Chemical Computing Group Excellence Award for Graduate Students

Up to Five $1,150 Chemical Computing Group Excellence Student Travel Award Stipends Available for the ACS National Meeting

CCG Research Excellence student travel award stipends are available
for the Fall 2019 San Diego ACS National Meeting. The CCG Excellence
Awards have been created to stimulate graduate student participation
in ACS COMP Division activities (symposia and poster sessions) at ACS
National Meetings. Those eligible for a CCG Excellence Award are
graduate students in good standing who present work within the COMP
program, in poster format. Winners receive $1,150 to
offset their travel expenses, as well as a copy of CCG's MOE
(Molecular Operating Environment) software with a one-year license.
They are also honored during a ceremony at the COMP Division Poster
Session.

Up to 5 awardees will be chosen on the basis of the quality and
significance of the research to be presented, as well as the strength
of the supporting letter and other materials. All graduate students of
the Americas (North, South or Central) are encouraged to submit
applications. Awards will be given only to those individuals making
presentations, not co-authors. There is a limit of one CCG award
application per research lab (PI). Previous winners of an ACS CCG graduate student award (given by any division) are not eligible to apply. Applicants must be a current member of the ACS COMP Division, seehttp://www.acscomp.org/members/join-comp.

To apply for an award for the ACS National Meeting in San Diego, CA, August 25 - 29 2019, do the following:

1) submit your poster abstract to the "Chemical Computing Group Excellence Award" poster symposium on the ACS MAPS system.Do not submit your abstract to the standard poster session- it must be submitted for the CCG session or your application will not be considered.

2) fill out the application form (CLICK HERE), which also explains how to submit a single pdf document containing the following items: title, authors/affiliations and extended abstract of the work (no more
than 2 pages), a 1-2 page CV, and a 1-page personal statement. Please ensure that your list of publications in your CV includes only peer-reviewed articles that have been accepted or published. If you wish to include manuscripts in preparation or under review, please create a separate section of your CV. Likewise, presentations and non-reviewed publications should be included in separate sections.

3) have your research mentor submit a letter of recommendation (see the form for details).

The deadline for completing all 3 of these items is MIDNIGHT EASTERN TIME, March 25, 2019.

Posters not selected for the CCG Excellence Award for Graduate Students will automatically be placed in to the regular COMP Poster Session.

David Williams-Young (Xiaosong Li, advisor), University of WashingtonNovel model reduction algorithm for the efficient evaluation of molecular response propertiesZhongyue Yang(Kendall N. Houk, advisor), University of California, Los AngelesEnvironment-Perturbed transition state sampling and its applications in chemical and biochemical reactions in condensed media

The Spring 2017 Winners (San Francisco, CA)

Fiona Kearns, University of South Florida (Lee Woodcock, advisor), ”QM-NEW: An efficient and accurate QM/MM free energy estimator and its application to pKa predictions”

The Spring 2015 Winners (Denver, CO)

Vivek Bharadwaj, Department of Chemical and Biological Engineering, Colorado School of MinesTheoretical Investigations of the Fumarate Addition Reaction: Implications for the Biological Stability of Future Fuels and Opportunities for Bioremediation of Hydrocarbon Contaminated Areas

Feizhi Ding, Department of Chemistry, University of WashingtonTime-Dependent Non-equilibrium Dynamics in QM/continuum approaches

Nan Li, Department of Materials Science and Engineering, North Carolina State University Simulations of the self-assembly of polyelectrolyte block copolymers using dissipative particle dynamics with an implicit solvent ionic strength (ISIS) method

Gregory Medders, Department of Chemistry and Biochemistry, University of California, San DiegoSum Frequency Generation Spectra of the Air/Water Interface from First Principles Based Models

Heather Wiebe, Department of Chemistry, Simon Fraser UniversityMD-Generated Volume Profiles as a Tool for Probing Transition States of Conformational Changes

The Fall 2014 Winners (San Francisco, CA)

Ara Abramyan, Department of Chemistry and Biochemistry, University of the SciencesComputational studies of aromatic foldamer helices: molecular encapsulation and handedness inversion

Symon Gathiaka,Department of Chemistry and Biochemistry, Auburn UniversityMechanism and product specificity of PRMT1: Implications from QM and MD simulations

Christopher Roberts, Department of Chemistry, University of California RiversideEffects of spatial organization and molecular scaffoldings on the diffusive activity of substrates in enzyme nanstructures

The Spring 2014 Winners (Dallas, Texas)

Laura Albrecht, Department of Chemistry, Dalhousie UniversityInvestigating local stability in water clusters using atomic energies

Peng Bai, Department of Chemical Engineering and Materials Science, University of MinnesotaUnderstanding solution-phase adsorption of complex molecules in zeolites by molecular simulation

The Spring 2013 Winners (New Orleans, Louisiana)

Marie L Laury, Department of Chemistry, University of North TexasExamining the 4d transition metals and the lower p-block with a pseudopotential-based composite method: Atomic and molecular applications of rp-ccCA

Iffat H Nayyar, Los Alamos National Laboratory, University of Central FloridaEffect of trans and cis conformational defects on the localization of electronic excitations in π-conjugated organic polymers

The Fall 2012 Winners (Philadelphia, Pennsylvania)

Sean Fischer, Department of Chemistry, University of WashingtonSurface hoping with Ehrenfest Excited Potential: Towards accurate and affordable non-adiabatic dynamics for large systems

Brian Gold, Department of Chemistry and Biochemistry, Florida State UniversitySelective transition state stabilization in the design of fast and tunable non-catalyzed click reactions

Emilie Guidez , Department of Chemistry, Kansas State University Development of a charge-perturbed particle in a sphere model for electronic structure calculations of ligand-protected gold nanoparticles

Nikolay Plotnikov , Department of Chemistry, University of Southern California Validation of Linear Response Approximation of the Free Energy Perturbation while moving from the reference potential to the ab initio QM/MM potential

Yue Shi , Department of Biomedical Engineering, University of Texas at Austin Thermodynamic Effects of Conformational constraints in protein-ligand interactions

Augmentation of the LANL2DZ Basis Set Under B3LYP and MP2 Models to Improve Calculated Results for p Block Elements

Norge Cruz Hernandez

University of Seville, Spain

Advisor: Javier Fernandez Sanz

DFGT and Molecular Dynamic Study of ScN, TiN, and VN Materials

Ohyun Kwon

Auburn University

Advisor: Michael L. McKee

Theoretical Studies of Main-Group Metallocenes

Nelaine Mora-Diez

Dalhousie University, Halifax, Nova Scotia

Advisor: Russell J. Boyd

Theoretical Calculations in Atmospheric Chemistry: OH and NO Hydrogen-Abstraction Reactions from Aldehydes

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